2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide

C14H18N2O2 — CID 107863374

IUPAC2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
SMILESCCCC(C#N)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-6-12(9-15)14(18)16-13(10-17)11-7-4-3-5-8-11/h3-5,7-8,12-13,17H,2,6,10H2,1H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyYYGCIZTZJABROZ-ZGTCLIOFSA-N
MW246.31 g/mol
LogP1.78
Rot. Bonds6

About 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide

2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide (PubChem CID 107863374) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
PubChem CID107863374
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
SMILESCCCC(C#N)C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C14H18N2O2/c1-2-6-12(9-15)14(18)16-13(10-17)11-7-4-3-5-8-11/h3-5,7-8,12-13,17H,2,6,10H2,1H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyYYGCIZTZJABROZ-ZGTCLIOFSA-N
XLogP1.78
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylpentanamide
CID 113258887
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
CID 107863380
(2R)-2-cyano-N-[(1R)-1-phenylpropyl]propanamide
CID 94396295
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863395
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 59578769

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide?
The IUPAC name of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide (CID 107863374) is 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide.
What is the SMILES notation for 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide?
The canonical SMILES for 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide is CCCC(C#N)C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide?
The InChIKey is YYGCIZTZJABROZ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-6-12(9-15)14(18)16-13(10-17)11-7-4-3-5-8-11/h3-5,7-8,12-13,17H,2,6,10H2,1H3,(H,16,18)/t12?,13-/m1/s1.
What are the key properties of 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide?
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide has a molecular weight of 246.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide is sourced from PubChem (CID 107863374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).